N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide

C25H26N4O5 — CID 118868576

IUPACN-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
SMILESCCCN1CC(=O)N2Cc3c(c4cc(O)ccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O
InChIInChI=1S/C25H26N4O5/c1-2-9-27-14-23(31)29-13-22-19(11-21(29)25(27)33)18-10-17(30)7-8-20(18)28(22)12-15-3-5-16(6-4-15)24(32)26-34/h3-8,10,21,30,34H,2,9,11-14H2,1H3,(H,26,32)
InChIKeyGKESKPCZKUEYAM-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.02
Rot. Bonds5

About N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide

N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide (PubChem CID 118868576) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
PubChem CID118868576
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide
SMILESCCCN1CC(=O)N2Cc3c(c4cc(O)ccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O
InChIInChI=1S/C25H26N4O5/c1-2-9-27-14-23(31)29-13-22-19(11-21(29)25(27)33)18-10-17(30)7-8-20(18)28(22)12-15-3-5-16(6-4-15)24(32)26-34/h3-8,10,21,30,34H,2,9,11-14H2,1H3,(H,26,32)
InChIKeyGKESKPCZKUEYAM-UHFFFAOYSA-N
XLogP2.02
TPSA115.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide (CID 118868576) is N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide is CCCN1CC(=O)N2Cc3c(c4cc(O)ccc4n3Cc3ccc(C(=O)NO)cc3)CC2C1=O.
What is the InChIKey of N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
The InChIKey is GKESKPCZKUEYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-2-9-27-14-23(31)29-13-22-19(11-21(29)25(27)33)18-10-17(30)7-8-20(18)28(22)12-15-3-5-16(6-4-15)24(32)26-34/h3-8,10,21,30,34H,2,9,11-14H2,1H3,(H,26,32).
What are the key properties of N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide?
N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide has a molecular weight of 462.51 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(13-hydroxy-4,7-dioxo-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-17-yl)methyl]benzamide is sourced from PubChem (CID 118868576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).